2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid

C19H25ClN2O7 — CID 163341040

IUPAC2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid
SMILESO=C(COc1ccccc1Cl)N[C@@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1O.O=CO
InChIInChI=1S/C18H23ClN2O5.CH2O2/c19-13-3-1-2-4-16(13)26-11-17(23)20-14-9-12(10-15(14)22)18(24)21-5-7-25-8-6-21;2-1-3/h1-4,12,14-15,22H,5-11H2,(H,20,23);1H,(H,2,3)/t12-,14+,15+;/m0./s1
InChIKeyWVYDBZXLTWWXSI-SQFLUBDYSA-N
MW428.87 g/mol
LogP0.53
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid

2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid (PubChem CID 163341040) has the molecular formula C19H25ClN2O7 and a molecular weight of 428.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid
PubChem CID163341040
Molecular FormulaC19H25ClN2O7
Molecular Weight428.87 g/mol
Exact Mass428.14
IUPAC Name2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid
SMILESO=C(COc1ccccc1Cl)N[C@@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1O.O=CO
InChIInChI=1S/C18H23ClN2O5.CH2O2/c19-13-3-1-2-4-16(13)26-11-17(23)20-14-9-12(10-15(14)22)18(24)21-5-7-25-8-6-21;2-1-3/h1-4,12,14-15,22H,5-11H2,(H,20,23);1H,(H,2,3)/t12-,14+,15+;/m0./s1
InChIKeyWVYDBZXLTWWXSI-SQFLUBDYSA-N
XLogP0.53
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]acetamide
CID 110125138
2-(2-chlorophenoxy)-N-[(3R,4R)-4-hydroxy-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]acetamide;formic acid
CID 163334048
2-(2-hydroxyphenoxy)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122561904
N-[(1R,2R,4S)-2-hydroxy-4-(6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)cyclopentyl]-2-phenoxyacetamide
CID 155919542
2-(2-chlorophenoxy)-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 45155134
2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
CID 110125549
2-(2-chlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1014094
2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9255870
3-chloro-4-ethoxy-N-[(1R,2R,4S)-2-hydroxy-4-(pyrrolidine-1-carbonyl)cyclopentyl]benzamide
CID 156584039
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid (CID 163341040) is 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid is O=C(COc1ccccc1Cl)N[C@@H]1C[C@H](C(=O)N2CCOCC2)C[C@H]1O.O=CO.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid?
The InChIKey is WVYDBZXLTWWXSI-SQFLUBDYSA-N. The full InChI is InChI=1S/C18H23ClN2O5.CH2O2/c19-13-3-1-2-4-16(13)26-11-17(23)20-14-9-12(10-15(14)22)18(24)21-5-7-25-8-6-21;2-1-3/h1-4,12,14-15,22H,5-11H2,(H,20,23);1H,(H,2,3)/t12-,14+,15+;/m0./s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid?
2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid has a molecular weight of 428.87 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(1R,2R,4S)-2-hydroxy-4-(morpholine-4-carbonyl)cyclopentyl]acetamide;formic acid is sourced from PubChem (CID 163341040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).